SCHEMBL11450751

SCHEMBL11450751

CC(C)(COS(C)(=O)=O)c1cc(OS(C)(=O)=O)ccc1OS(C)(=O)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
PPARA Q07869 1/20 0.35
HPGD P15428 1/20 0.35
KDM4E B2RXH2 4/20 0.34
GAA P10253 2/20 0.34
CA2 P00918 3/20 0.33
CA5A P35218 2/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 1/20 0.33
PSMD14 O00487 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
ALPL P05186 1/20 0.32
ALPI P09923 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11448374 0.76 ALDH1A1 (0.47) ALDH1A1PPARAHPGDKDM4EGAA
SCHEMBL11455879 0.75 ALDH1A1 (0.46) ALDH1A1PPARAKDM4EGAAMAPT
SCHEMBL11449839 0.74 ALDH1A1 (0.42) ALDH1A1PPARAKDM4EMAPTLMNA
SCHEMBL11448582 0.74 ALDH1A1 (0.45) ALDH1A1PPARAGAACA2MAPT
SCHEMBL11457330 0.73 ALDH1A1 (0.44) ALDH1A1PPARAHPGDKDM4ECA2
SCHEMBL11448904 0.73 ALDH1A1 (0.44) ALDH1A1PPARAGAAMAPTMEN1
SCHEMBL11448855 0.73 ALDH1A1 (0.47) ALDH1A1PPARAKDM4EGAAMAPT
SCHEMBL11449637 0.73 ALDH1A1 (0.44) ALDH1A1PPARAHPGDMAPTMEN1
SCHEMBL2058113 0.73 ALDH1A1 (0.50) ALDH1A1HPGDKDM4EGAACA2
SCHEMBL10180612 0.73 MAPK1 (0.53) ALDH1A1PPARACA2MAPTLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4222767-A Certain herbicidal sulfonates and sulfamates FISONS LIMITED (GB) 1980-09-16 US disclosed
US-4162154-A BENZOFURAN DERIVATIVES FISONS LIMITED (GB) 1979-07-24 US disclosed